Example code from the molecule documentation. If this breaks, update the docs in vtkMolecule.h
| 10 | // Example code from the molecule documentation. If this breaks, |
| 11 | // update the docs in vtkMolecule.h |
| 12 | bool MoleculeExampleCode1() |
| 13 | { |
| 14 | vtkNew<vtkMolecule> mol; |
| 15 | vtkAtom h1 = mol->AppendAtom(1, 0.0, 0.0, -0.5); |
| 16 | vtkAtom h2 = mol->AppendAtom(1, 0.0, 0.0, 0.5); |
| 17 | vtkBond b = mol->AppendBond(h1, h2, 1); |
| 18 | int errors(0); |
| 19 | |
| 20 | if (fabs(b.GetLength() - 1.0) > 1e-8) |
| 21 | { |
| 22 | std::cout << "Error bond length incorrect. Expected 1.0, but got " << b.GetLength() |
| 23 | << std::endl; |
| 24 | ++errors; |
| 25 | } |
| 26 | |
| 27 | if (!h1.GetPosition().Compare(vtkVector3f(0.0, 0.0, -0.5), 1e-8)) |
| 28 | { |
| 29 | std::cout << "Error atom position incorrect. Expected 0.0, 0.0, -0.5 but got " |
| 30 | << h1.GetPosition() << std::endl; |
| 31 | ++errors; |
| 32 | } |
| 33 | |
| 34 | if (!h2.GetPosition().Compare(vtkVector3f(0.0, 0.0, 0.5), 1e-8)) |
| 35 | { |
| 36 | std::cout << "Error atom position incorrect. Expected 0.0, 0.0, 0.5 but got " |
| 37 | << h2.GetPosition() << std::endl; |
| 38 | ++errors; |
| 39 | } |
| 40 | |
| 41 | if (h1.GetAtomicNumber() != 1) |
| 42 | { |
| 43 | std::cout << "Error atomic number incorrect. Expected 1 but got " << h1.GetAtomicNumber() |
| 44 | << std::endl; |
| 45 | ++errors; |
| 46 | } |
| 47 | |
| 48 | if (h2.GetAtomicNumber() != 1) |
| 49 | { |
| 50 | std::cout << "Error atomic number incorrect. Expected 1 but got " << h2.GetAtomicNumber() |
| 51 | << std::endl; |
| 52 | ++errors; |
| 53 | } |
| 54 | |
| 55 | return errors == 0; |
| 56 | } |
| 57 | |
| 58 | // Example code from the molecule documentation. If this breaks, |
| 59 | // update the docs in vtkMolecule.h |
no test coverage detected